2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide

C20H26N2O3 — CID 56822891

IUPAC2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(CNCc2ccccc2OCC)cc1
InChIInChI=1S/C20H26N2O3/c1-3-22-20(23)15-25-18-11-9-16(10-12-18)13-21-14-17-7-5-6-8-19(17)24-4-2/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,23)
InChIKeyOKSAREWXQHUCTN-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.89
Rot. Bonds10

About 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide

2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide (PubChem CID 56822891) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide
PubChem CID56822891
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(CNCc2ccccc2OCC)cc1
InChIInChI=1S/C20H26N2O3/c1-3-22-20(23)15-25-18-11-9-16(10-12-18)13-21-14-17-7-5-6-8-19(17)24-4-2/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,23)
InChIKeyOKSAREWXQHUCTN-UHFFFAOYSA-N
XLogP2.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide
CID 111114582
N-ethyl-2-[4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenoxy]acetamide
CID 95296233
N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
2-(4-ethoxyphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439853
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide (CID 56822891) is 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(CNCc2ccccc2OCC)cc1.
What is the InChIKey of 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide?
The InChIKey is OKSAREWXQHUCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-22-20(23)15-25-18-11-9-16(10-12-18)13-21-14-17-7-5-6-8-19(17)24-4-2/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide?
2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 56822891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).